CID 57376482

26774-80-1

Structural Information

Molecular Formula
C15H13NO5S
SMILES
C1CC(=O)N([C@@H]1C(=O)O)S(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C15H13NO5S/c17-14-9-8-12(15(18)19)16(14)22(20,21)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,18,19)/t12-/m0/s1
InChIKey
CJHLTELXCRYESZ-LBPRGKRZSA-N
Compound name
(2S)-1-naphthalen-1-ylsulfonyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.05145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.058726 170.0
[M+Na]+ 342.040668 178.3
[M-H]- 318.044174 175.4
[M+NH4]+ 337.085273 185.3
[M+K]+ 358.014608 174.2
[M+H-H2O]+ 302.048710 164.0
[M+HCOO]- 364.049651 183.1
[M+CH3COO]- 378.065301 199.4
[M+Na-2H]- 340.026116 171.6
[M]+ 319.05090142 171.9
[M]- 319.05199858 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.